2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine

C18H22N6 — CID 45271654

IUPAC2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine
SMILESCc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2cn1
InChIInChI=1S/C18H22N6/c1-14-11-18-21-15(2)16(24(18)13-20-14)12-22-7-9-23(10-8-22)17-5-3-4-6-19-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyWDBJVXVAJSANJL-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.06
Rot. Bonds3

About 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine

2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine (PubChem CID 45271654) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine
PubChem CID45271654
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine
SMILESCc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2cn1
InChIInChI=1S/C18H22N6/c1-14-11-18-21-15(2)16(24(18)13-20-14)12-22-7-9-23(10-8-22)17-5-3-4-6-19-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyWDBJVXVAJSANJL-UHFFFAOYSA-N
XLogP2.06
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine?
The IUPAC name of 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine (CID 45271654) is 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine is Cc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2cn1.
What is the InChIKey of 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine?
The InChIKey is WDBJVXVAJSANJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-14-11-18-21-15(2)16(24(18)13-20-14)12-22-7-9-23(10-8-22)17-5-3-4-6-19-17/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine?
2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine has a molecular weight of 322.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 45271654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).